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DocumentationIdentifier: MM303679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303679 |
| SMILES |
CC=CC(CCN)OC=O
|
| InChIKey |
MNVUKTLNJYIBOC-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93356
Similarity: 0.6794
Similarity to MM93356
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8091 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243175
Similarity: 0.604
Similarity to MM243175
| Tanimoto metric | 0.604 |
|---|---|
| Cosine metric | 0.7546 |
| Dice metric | 0.7531 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83762
Similarity: 0.5933
Similarity to MM83762
| Tanimoto metric | 0.5933 |
|---|---|
| Cosine metric | 0.7462 |
| Dice metric | 0.7448 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
